5-ethyl-6-oxidanylidene-N-phenethyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 5-ethyl-6-oxidanylidene-N-phenethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-ethyl-6-oxo-N-phenethyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-ethyl-6-oxo-N-phenethyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-ethyl-6-oxo-N-phenethylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-ethyl-6-keto-N-phenethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C24H22N2O2S MolecularWeight: 402.50868

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)C(=O)NCCC3=CC=CC=C3)SC4=CC=CC=C4C1=O

Isomeric SMILES

CCN1C2=C(C=CC(=C2)C(=O)NCCC3=CC=CC=C3)SC4=CC=CC=C4C1=O

InChI

InChI=1S/C24H22N2O2S/c1-2-26-20-16-18(23(27)25-15-14-17-8-4-3-5-9-17)12-13-22(20)29-21-11-7-6-10-19(21)24(26)28/h3-13,16H,2,14-15H2,1H3,(H,25,27)